5-[(3-butoxycarbonyl-2-methyl-1-benzofuran-5-yl)sulfamoyl]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[(3-butoxycarbonyl-2-methyl-1-benzofuran-5-yl)sulfamoyl]-2-oxidanyl-benzoic acid Openeye Name: 5-[(3-butoxycarbonyl-2-methyl-benzofuran-5-yl)sulfamoyl]-2-hydroxy-benzoic acid CAS Name: 5-[[3-[butoxy(oxo)methyl]-2-methyl-5-benzofuranyl]sulfamoyl]-2-hydroxybenzoic acid IUPAC Name: 5-[(3-butoxycarbonyl-2-methyl-1-benzofuran-5-yl)sulfamoyl]-2-hydroxybenzoic acid Traditional Name: 5-[(3-butoxycarbonyl-2-methyl-benzofuran-5-yl)sulfamoyl]-2-hydroxy-benzoic acid Formula: C21H21NO8S MolecularWeight: 447.45834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(OC2=C1C=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)O)C(=O)O)C

Isomeric SMILES

CCCCOC(=O)C1=C(OC2=C1C=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)O)C(=O)O)C

InChI

InChI=1S/C21H21NO8S/c1-3-4-9-29-21(26)19-12(2)30-18-8-5-13(10-16(18)19)22-31(27,28)14-6-7-17(23)15(11-14)20(24)25/h5-8,10-11,22-23H,3-4,9H2,1-2H3,(H,24,25)